SCHEMBL23329484

SCHEMBL23329484

O=S(=O)(CC1CCCNC1)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.44
CTDSP1 Q9GZU7 2/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KAT5 Q92993 2/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
KAT7 O95251 1/20 0.35
KAT6A Q92794 1/20 0.35
EED O75530 3/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10795612 0.84 KMT2A (0.51) KMT2AKAT5KAT7KAT6ACHRNB2
SCHEMBL28160358 0.84 PLCG1 (0.53) PLCG1CTDSP1POLBKMT2AMAPK1
Hydrochloric Acid SCHEMBL10799726 0.83 KMT2A (0.50) KMT2AKAT5KAT7KAT6ACHRNB2
SCHEMBL22289434 0.82 PLCG1 (0.55) PLCG1CTDSP1POLBKMT2AMAPK1
SCHEMBL23329863 0.81 PLCG1 (0.50) PLCG1CTDSP1POLBMAPK1HTT
SCHEMBL2413925 0.78 PLCG1 (0.59) PLCG1CTDSP1POLBKMT2AMAPK1
SCHEMBL10798675 0.76 DRD2 (0.49) KMT2AKAT5KAT7KAT6AEED
Hydrochloric Acid SCHEMBL10798812 0.75 DRD2 (0.48) KMT2AKAT5KAT7KAT6AEED
SCHEMBL10795010 0.75 APLNR (0.47) PLCG1MAPK1HTTHTR6
Hydrochloric Acid SCHEMBL10799346 0.74 APLNR (0.46) PLCG1MAPK1HTTHTR6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021083209-A1 SSAO INHIBITORS AND USE THEREOF ECCOGENE (SHANGHAI) CO., LTD. (CN) 2021-05-06 WO disclosed